REMARK VINA RESULT: -2.8 1.867 2.228 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 -0.837 14.439 -14.420 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.623 13.771 -15.827 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -1.022 15.143 -16.621 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.958 15.049 -17.869 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.199 14.048 -14.468 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.289 14.654 -16.832 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.640 15.533 -15.293 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -0.036 15.271 -17.675 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -2.907 12.362 -16.141 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.111 11.329 -15.392 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -0.459 11.620 -14.985 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -0.400 10.102 -14.225 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 1.039 9.585 -13.446 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -1.483 9.368 -14.262 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.465 10.072 -14.937 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -4.263 14.745 -17.955 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -4.656 13.788 -18.642 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -5.046 15.416 -17.262 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3